CID 4721428

55980-45-5

Structural Information

Molecular Formula
C12H19N
SMILES
CC1=CC=C(C=C1)CNC(C)(C)C
InChI
InChI=1S/C12H19N/c1-10-5-7-11(8-6-10)9-13-12(2,3)4/h5-8,13H,9H2,1-4H3
InChIKey
BTOKYMQGPPWSTM-UHFFFAOYSA-N
Compound name
2-methyl-N-[(4-methylphenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

177.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.3
[M+Na]+ 200.14097 154.5
[M+NH4]+ 195.18557 151.4
[M+K]+ 216.11491 147.5
[M-H]- 176.14447 145.3
[M+Na-2H]- 198.12642 149.7
[M]+ 177.15120 145.0
[M]- 177.15230 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe